[(2-ethylhexanoyl)oxy]cobaltio 2-ethylhexanoate

• ChemBase ID: 145640
• Molecular Formular: C16H30CoO4
• Molecular Mass: 345.3402
• Monoisotopic Mass: 345.14760444
• SMILES: CCCCC(CC)C(=O)O[Co]OC(=O)C(CC)CCCC
• Canonical SMILES: CCCCC(C(=O)O[Co]OC(=O)C(CCCC)CC)CC
• InChI: InChI=1S/2C8H16O2.Co/c2*1-3-5-6-7(4-2)8(9)10;/h2*7H,3-6H2,1-2H3,(H,9,10);/q;;+2/p-2
• InChIKey: QAEKNCDIHIGLFI-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: [(2-ethylhexanoyl)oxy]cobaltio 2-ethylhexanoate
• IUPAC Traditional name: [(2-ethylhexanoyl)oxy]cobaltio 2-ethylhexanoate
• Synonyms: Cobalt(II) 2-ethylhexanoate solution; 2-乙基己酸钴(II) 溶液

Database IDs

• CAS Number: 136-52-7
• MDL Number: MFCD00072632
• PubChem SID: 24868129; 162239844
• PubChem CID: 11078480

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 5.0382
• LogD (pH = 7.4): 5.0382
• Log P: 5.0382
• Molar Refractivity: 78.643 cm^3
• Polarizability: 34.851242 Å^3
• Polar Surface Area: 52.6 Å^2
• Rotatable Bonds: 14
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Flash Point: 104 °F; 40 °C
• Density: 1.002 g/mL at 25 °C

Safety Information

• European Hazard Symbols: Harmful (Xn)
• UN Number: 1268
• German water hazard class: 3
• Hazard Class: 3
• Packing Group: 3
• Risk Statements: 63-10-20/21/22-36/37/38
• Safety Statements: 26-36/37
• GHS Pictograms: GHS02; GHS06; GHS08
• GHS Signal Word: Danger
• GHS Hazard statements: H226-H302 + H312-H315-H319-H330-H335-H361
• GHS Precautionary statements: P260-P280-P284-P305 + P351 + P338-P310
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 1268 3/PG 3

Product Information

• Concentration: 65 wt. % in mineral spirits
• Linear Formula: [CH3(CH2)3CH(C2H5)CO2]2Co

DETAILS

Sigma Aldrich - 444545

Packaging
100, 500 mL in glass bottle
Application
Polymerization accelerator